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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > azaphilone > helicusin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > azaphilone > helicusin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > azaphilone > helicusin e

Preferred term

helicusin e  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H29ClO9

inchi

  • InChI=1S/C25H29ClO9/c1-6-14(3)21(30)24(4,33)8-7-15-11-16-17(12-34-15)22(31)25(5,23(32)20(16)26)35-19(29)10-13(2)9-18(27)28/h7-8,10-12,14,21,30,33H,6,9H2,1-5H3,(H,27,28)/b8-7?,13-10+/t14?,21?,24?,25-/m0/s1

inchikey

  • KRQJBTNVZHCANM-NVYBTJKXSA-N

mass

  • 508.950

monoisotopicmass

  • 508.15001

smiles

  • ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)/C=C(/CC(=O)O)/C)C)=COC(=C2)C=CC(O)(C(O)C(CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (E)-5-[(7S)-5-chloro-3-(3,4-dihydroxy-3,5-dimethylhept-1-enyl)-7-methyl-6,8-dioxoisochromen-7-yl]oxy-3-methyl-5-oxopent-3-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219705

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